N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide

C21H21N5O3S — CID 86819251

IUPACN,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)cn1C
InChIInChI=1S/C21H21N5O3S/c1-25(2)21(27)19-11-17(13-26(19)3)30(28,29)24-20-12-18(22-23-20)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,22,23,24)
InChIKeyUXTGZZWQTWDPLA-UHFFFAOYSA-N
MW423.50 g/mol
LogP3.07
Rot. Bonds5

About N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide

N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide (PubChem CID 86819251) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 g/mol. Its IUPAC name is N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide
PubChem CID86819251
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC NameN,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)cn1C
InChIInChI=1S/C21H21N5O3S/c1-25(2)21(27)19-11-17(13-26(19)3)30(28,29)24-20-12-18(22-23-20)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,22,23,24)
InChIKeyUXTGZZWQTWDPLA-UHFFFAOYSA-N
XLogP3.07
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]sulfamoyl]-N,N,1-trimethylpyrrole-2-carboxamide
CID 166350273
1-methyl-4-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 104617525
2,5-dimethoxy-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 86807266
4-[(5-phenyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 154780485
4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 116798901
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 63666659
1-cyclobutyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 146141081
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 62944648
5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide
CID 166376138
3,3-dimethyl-2-oxo-N-(5-phenyl-1H-pyrazol-3-yl)-1H-indole-5-sulfonamide
CID 154863606
N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 55154114
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110868216

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide (CID 86819251) is N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide is CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)cn1C.
What is the InChIKey of N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is UXTGZZWQTWDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-25(2)21(27)19-11-17(13-26(19)3)30(28,29)24-20-12-18(22-23-20)16-9-8-14-6-4-5-7-15(14)10-16/h4-13H,1-3H3,(H2,22,23,24).
What are the key properties of N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide?
N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 423.50 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-[(5-naphthalen-2-yl-1H-pyrazol-3-yl)sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 86819251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).